(7-methyl-2-oxidanylidene-chromen-4-yl)methyl 2-(5-chloranylthiophen-2-yl)quinoline-4-carboxylate

Systemtic Name: (7-methyl-2-oxidanylidene-chromen-4-yl)methyl 2-(5-chloranylthiophen-2-yl)quinoline-4-carboxylate Openeye Name: (7-methyl-2-oxo-chromen-4-yl)methyl 2-(5-chloro-2-thienyl)quinoline-4-carboxylate CAS Name: 2-(5-chloro-2-thiophenyl)-4-quinolinecarboxylic acid (7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxochromen-4-yl)methyl 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate Traditional Name: 2-(5-chloro-2-thienyl)cinchoninic acid (2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C25H16ClNO4S MolecularWeight: 461.91684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(S5)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(S5)Cl

InChI

InChI=1S/C25H16ClNO4S/c1-14-6-7-16-15(11-24(28)31-21(16)10-14)13-30-25(29)18-12-20(22-8-9-23(26)32-22)27-19-5-3-2-4-17(18)19/h2-12H,13H2,1H3